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OAKWOOD-ZINC04244893

 MMsINC code: MMs02549578
Type: Neutral
Formula: C12H10N2O3
SMILES:   O(c1cc(N)c([N+](=O)[O-])cc1)c1ccccc1
InChI:   InChI=1/C12H10N2O3/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2

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Potential Energy
Epot(MMFF94)=86.9153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.223 g/mol  logS: -3.6787  SlogP: 2.9693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103381  Sterimol/B1: 2.58848  Sterimol/B2: 3.34172  Sterimol/B3: 4.23555
  Sterimol/B4: 4.42446  Sterimol/L: 13.4589 
 
 Surface and Volume Properties
  Accessible surface: 429.544  Positive charged surface: 213.914  Negative charged surface: 215.63  Volume: 206.875
  Hydrophobic surface: 301.424  Hydrophilic surface: 128.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.